4-[1-(2-piperidin-1-ylethylamino)ethenyl]aniline

C15H23N3 — CID 89382473

IUPAC4-[1-(2-piperidin-1-ylethylamino)ethenyl]aniline
SMILESC=C(NCCN1CCCCC1)c1ccc(N)cc1
InChIInChI=1S/C15H23N3/c1-13(14-5-7-15(16)8-6-14)17-9-12-18-10-3-2-4-11-18/h5-8,17H,1-4,9-12,16H2
InChIKeyKKWDKTNVROURNM-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.32
Rot. Bonds5

About 4-[1-(2-piperidin-1-ylethylamino)ethenyl]aniline

4-[1-(2-piperidin-1-ylethylamino)ethenyl]aniline (PubChem CID 89382473) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-[1-(2-piperidin-1-ylethylamino)ethenyl]aniline.

Molecular Properties

Compound Name4-[1-(2-piperidin-1-ylethylamino)ethenyl]aniline
PubChem CID89382473
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name4-[1-(2-piperidin-1-ylethylamino)ethenyl]aniline
SMILESC=C(NCCN1CCCCC1)c1ccc(N)cc1
InChIInChI=1S/C15H23N3/c1-13(14-5-7-15(16)8-6-14)17-9-12-18-10-3-2-4-11-18/h5-8,17H,1-4,9-12,16H2
InChIKeyKKWDKTNVROURNM-UHFFFAOYSA-N
XLogP2.32
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]benzamide
CID 166390762
1-(4-aminophenyl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 55097980
N-(2-piperidin-1-ylethyl)-1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)ethenamine
CID 156841297
3-(4-aminophenyl)-N-(2-piperidin-1-ylethyl)butanamide
CID 104502480
1-(2-ethyl-3-methyl-1H-indol-5-yl)-N-(2-pyrrolidin-1-ylethyl)ethenamine
CID 156841416
4-amino-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]benzamide
CID 119863887
5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62636573
N-(2-piperidin-1-ylethyl)-4-sulfamoylbenzamide
CID 68595243
3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119834336
2-pyrrolidin-1-ylethyl 4-aminobenzoate
CID 10243125
4-N-[2-(azepan-1-yl)ethyl]benzene-1,2,4-triamine
CID 106750490
2-(4-aminophenyl)-N-(5-piperidin-1-ylpentyl)acetamide;dihydrochloride
CID 119885427

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-piperidin-1-ylethylamino)ethenyl]aniline?
The IUPAC name of 4-[1-(2-piperidin-1-ylethylamino)ethenyl]aniline (CID 89382473) is 4-[1-(2-piperidin-1-ylethylamino)ethenyl]aniline.
What is the SMILES notation for 4-[1-(2-piperidin-1-ylethylamino)ethenyl]aniline?
The canonical SMILES for 4-[1-(2-piperidin-1-ylethylamino)ethenyl]aniline is C=C(NCCN1CCCCC1)c1ccc(N)cc1.
What is the InChIKey of 4-[1-(2-piperidin-1-ylethylamino)ethenyl]aniline?
The InChIKey is KKWDKTNVROURNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-13(14-5-7-15(16)8-6-14)17-9-12-18-10-3-2-4-11-18/h5-8,17H,1-4,9-12,16H2.
What are the key properties of 4-[1-(2-piperidin-1-ylethylamino)ethenyl]aniline?
4-[1-(2-piperidin-1-ylethylamino)ethenyl]aniline has a molecular weight of 245.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-piperidin-1-ylethylamino)ethenyl]aniline is sourced from PubChem (CID 89382473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).